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Method for calculating the sizes of nucleation centers upon homogeneous crystallization from a supercooled liquid

  • Structure of Matter and Quantum Chemistry
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Abstract

An alternative approach to calculating critical sizes l k of nucleation centers and work A k of their formation upon crystallization from a supercooled melt by analyzing the variation in the Gibbs energy during the phase transformation is considered. Unlike the classical variant, it is proposed that the transformation entropy be associated not with melting temperature T L but with temperature T < T L at which the nucleation of crystals occurs. New equations for l k and A k are derived. Based on the results from calculating these quantities for a series of compounds, it is shown that this approach is unbiased and it is possible to eliminate known conflicts in analyzing these parameters in the classical interpretation.

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Correspondence to V. D. Aleksandrov.

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Original Russian Text © V.D. Aleksandrov, O.A. Pokyntelytsia, 2016, published in Zhurnal Fizicheskoi Khimii, 2016, Vol. 90, No. 9, pp. 1385–1388.

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Aleksandrov, V.D., Pokyntelytsia, O.A. Method for calculating the sizes of nucleation centers upon homogeneous crystallization from a supercooled liquid. Russ. J. Phys. Chem. 90, 1839–1842 (2016). https://doi.org/10.1134/S0036024416090028

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  • DOI: https://doi.org/10.1134/S0036024416090028

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